3RE1

Crystal structure of uroporphyrinogen III synthase from Pseudomonas syringae pv. tomato DC3000

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97916
Spacegroup name	P 1 21 1
Unit cell lengths	37.668, 67.455, 112.035
Unit cell angles	90.00, 94.37, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.2187
Rwork	0.218
R-free	0.23320
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.465
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	19409
Completeness [%]	99.7	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	281	20% PEG3350, 0.2M tri-Na citrate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 281K